E677-2682 Screening compound: 3-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

E677-2682 Screening compound: 3-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
E677-2682 Screening compound: 3-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-2682
3-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E677-2682

Molecular Formula

C19H18BrF2N3OS (C19 H18 BrF2 N3 OS)

Compound Name

3-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

IUPAC name

3-bromo-N-(46-difluoro-13-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

SMILES

CN(C)CCCN(C(c1cccc(Br)c1)=O)c1nc(c(F)cc(F)c2)c2s1

InChI

InChI=1S/C19H18BrF2N3OS/c1-24(2)7-4-8-25(18(26)12-5-3-6-13(20)9-12)19-23-17-15(22)10-14(21)11-16(17)27-19/h3,5-6,9-11H,4,7-8H2,1-2H3

InChI Key

WOKXPKPTRXQLMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985986

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

454.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.801

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-4.63

Polar Surface Area

30.011

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E677-2682 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Eye
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E677-2682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-2682?
Check Price and Availability of E677-2682, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E677-2682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-2682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-2682
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E677-2682 available by request